==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=13-MAR-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER VIRAL PROTEIN 22-FEB-10 2X6W . COMPND 2 MOLECULE: TAIL SPIKE PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: ENTEROBACTERIA PHAGE HK620; . AUTHOR N.K.LORENZEN,J.J.MUELLER,U.HEINEMANN,R.SECKLER,S.BARBIRZ . 596 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 23858.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 419 70.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 200 33.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 47 7.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 3 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 51 8.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 53 8.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 22 3.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 1 2 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 4 17 10 4 3 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 4 4 1 1 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 1 1 1 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 LADDERS PER SHEET . # RESIDUE AA STRUCTURE BP1 BP2 ACC N-H-->O O-->H-N N-H-->O O-->H-N TCO KAPPA ALPHA PHI PSI X-CA Y-CA Z-CA 1 114 A F > 0 0 173 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 -43.8 31.9 -23.9 -22.6 2 115 A R H > + 0 0 181 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.889 360.0 54.0 -55.7 -41.5 32.1 -20.1 -21.8 3 116 A A H > S+ 0 0 80 2,-0.2 4,-1.0 1,-0.2 -1,-0.2 0.926 109.9 45.7 -58.5 -49.5 28.4 -20.1 -21.2 4 117 A I H >4 S+ 0 0 71 1,-0.2 3,-0.7 2,-0.2 -2,-0.2 0.940 113.6 49.4 -59.9 -47.0 28.7 -23.0 -18.6 5 118 A I H 3< S+ 0 0 63 -4,-2.7 -2,-0.2 1,-0.3 -1,-0.2 0.850 113.1 45.3 -67.3 -36.5 31.7 -21.3 -16.8 6 119 A E H 3< S+ 0 0 141 -4,-2.4 -1,-0.3 -5,-0.2 -2,-0.2 0.624 101.1 88.1 -81.2 -12.4 30.0 -17.9 -16.5 7 120 A S S X< S- 0 0 43 -4,-1.0 3,-2.3 -3,-0.7 4,-0.3 -0.297 100.0 -97.6 -77.3 167.9 26.8 -19.5 -15.3 8 121 A P T 3 S+ 0 0 144 0, 0.0 3,-0.3 0, 0.0 4,-0.1 0.713 126.4 55.5 -60.9 -17.9 26.0 -20.3 -11.7 9 122 A E T > S+ 0 0 137 -5,-0.2 3,-0.9 1,-0.2 21,-0.1 0.383 78.5 101.4 -90.3 2.4 27.1 -23.9 -12.4 10 123 A G G X S+ 0 0 2 -3,-2.3 3,-2.3 1,-0.3 4,-0.3 0.904 76.9 52.4 -56.6 -46.3 30.5 -22.8 -13.6 11 124 A A G > S+ 0 0 36 -4,-0.3 19,-1.7 1,-0.3 3,-0.9 0.758 100.7 66.1 -61.5 -25.6 32.5 -23.6 -10.5 12 125 A G G < S+ 0 0 27 -3,-0.9 -1,-0.3 1,-0.2 -2,-0.2 0.405 102.2 47.5 -73.4 -0.9 30.9 -27.1 -10.8 13 126 A H G < S+ 0 0 85 -3,-2.3 2,-0.6 -8,-0.1 -1,-0.2 0.309 88.9 92.2-119.8 2.8 32.9 -27.6 -14.0 14 127 A V S < S- 0 0 64 -3,-0.9 15,-2.6 -4,-0.3 16,-0.2 -0.897 74.0-134.8-102.9 116.2 36.4 -26.5 -12.8 15 128 A G E -A 28 0A 53 -2,-0.6 2,-0.3 13,-0.2 13,-0.3 -0.279 24.6-178.9 -77.6 152.8 38.3 -29.4 -11.5 16 129 A Y E -A 27 0A 89 11,-2.7 11,-3.1 2,-0.0 2,-0.4 -0.988 14.8-176.8-148.8 141.3 40.3 -29.5 -8.3 17 130 A Q > - 0 0 48 -2,-0.3 3,-2.0 9,-0.2 9,-0.1 -0.976 44.7 -99.0-139.5 124.7 42.5 -32.0 -6.4 18 131 A Y G > S- 0 0 121 7,-0.5 3,-2.9 -2,-0.4 6,-0.2 -0.148 94.3 -24.0 -50.6 119.3 44.0 -31.0 -3.0 19 132 A R G 3 S- 0 0 197 1,-0.3 -1,-0.3 3,-0.0 3,-0.1 0.718 111.7 -73.0 51.9 29.6 47.6 -29.8 -3.3 20 133 A R G < S+ 0 0 210 -3,-2.0 2,-0.6 1,-0.2 -1,-0.3 0.731 84.5 164.8 55.6 24.9 48.0 -31.8 -6.5 21 134 A N X - 0 0 79 -3,-2.9 3,-2.0 1,-0.2 -1,-0.2 -0.602 33.8-152.1 -72.1 117.2 48.0 -34.9 -4.4 22 135 A T T 3 S+ 0 0 130 -2,-0.6 -1,-0.2 1,-0.3 4,-0.1 0.732 95.3 57.3 -68.3 -18.2 47.4 -37.9 -6.7 23 136 A G T 3 S+ 0 0 69 -5,-0.1 -1,-0.3 2,-0.1 2,-0.1 0.498 92.2 95.6 -83.5 -5.8 45.8 -39.8 -3.8 24 137 A S S < S- 0 0 33 -3,-2.0 2,-0.0 -6,-0.2 -5,-0.0 -0.423 86.3 -82.6 -86.5 163.9 43.2 -37.0 -3.2 25 138 A T - 0 0 101 -2,-0.1 2,-1.0 1,-0.1 -7,-0.5 -0.328 33.7-127.2 -62.8 136.6 39.6 -36.8 -4.4 26 139 A M + 0 0 158 -9,-0.1 -9,-0.2 -4,-0.1 2,-0.2 -0.806 50.6 162.8 -84.9 103.2 39.0 -35.4 -7.9 27 140 A R E -A 16 0A 67 -11,-3.1 -11,-2.7 -2,-1.0 2,-0.3 -0.453 38.0-114.8-112.6 178.4 36.6 -32.7 -7.0 28 141 A M E >> -A 15 0A 71 -13,-0.3 4,-1.2 -2,-0.2 3,-0.9 -0.883 31.2-113.0-111.0 154.9 35.1 -29.5 -8.5 29 142 A V H 3> S+ 0 0 47 -15,-2.6 4,-2.5 -18,-0.6 3,-0.5 0.891 116.8 59.6 -52.3 -43.0 35.7 -26.0 -7.1 30 143 A S H 3> S+ 0 0 31 -19,-1.7 4,-2.2 1,-0.2 -1,-0.2 0.852 99.8 58.1 -56.0 -37.1 31.9 -25.7 -6.2 31 144 A D H <4 S+ 0 0 66 -3,-0.9 -1,-0.2 -20,-0.3 4,-0.2 0.895 108.9 43.8 -59.9 -42.6 32.4 -28.8 -3.9 32 145 A V H >< S+ 0 0 43 -4,-1.2 3,-1.7 -3,-0.5 4,-0.2 0.935 113.4 49.9 -71.6 -43.1 35.1 -27.1 -1.9 33 146 A L H >< S+ 0 0 92 -4,-2.5 3,-1.7 1,-0.3 -2,-0.2 0.868 102.4 63.9 -60.9 -32.7 33.2 -23.8 -1.7 34 147 A D T 3< S+ 0 0 117 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.561 83.2 78.4 -70.4 -9.2 30.1 -25.8 -0.5 35 148 A E T < S+ 0 0 134 -3,-1.7 2,-0.3 -4,-0.2 -1,-0.3 0.647 101.0 38.3 -71.4 -18.7 32.0 -26.9 2.6 36 149 A R < - 0 0 116 -3,-1.7 2,-0.3 -4,-0.2 42,-0.1 -0.821 69.0-166.7-126.9 167.0 31.3 -23.4 4.0 37 150 A V - 0 0 30 40,-0.5 42,-2.0 -2,-0.3 2,-0.3 -0.973 5.3-179.0-156.3 140.8 28.3 -21.1 4.0 38 151 A S B > -b 79 0B 14 -2,-0.3 3,-1.7 40,-0.2 4,-0.2 -0.878 47.0 -97.4-136.1 169.7 27.6 -17.5 4.8 39 152 A L G >> S+ 0 0 2 40,-2.3 3,-2.0 -2,-0.3 4,-1.3 0.804 117.3 71.5 -57.7 -28.7 24.8 -15.0 4.9 40 153 A W G 34 S+ 0 0 71 1,-0.3 -1,-0.3 39,-0.3 11,-0.1 0.801 87.2 64.6 -57.7 -29.2 26.1 -13.8 1.5 41 154 A D G <4 S+ 0 0 77 -3,-1.7 -1,-0.3 1,-0.2 -2,-0.2 0.543 117.5 24.5 -72.2 -6.8 24.8 -17.1 -0.0 42 155 A F T <4 S+ 0 0 41 -3,-2.0 2,-1.6 -4,-0.2 -2,-0.2 0.393 93.5 98.0-132.0 -6.4 21.2 -16.1 0.8 43 156 A H < + 0 0 0 -4,-1.3 8,-2.6 5,-0.1 2,-0.3 -0.522 65.1 112.4 -92.5 72.4 21.3 -12.3 1.0 44 157 A C B -X 50 0C 40 -2,-1.6 6,-0.2 6,-0.3 -3,-0.0 -0.919 65.5-107.4-145.8 158.3 20.0 -11.8 -2.6 45 158 A D > - 0 0 50 4,-2.5 3,-2.2 -2,-0.3 -1,-0.1 -0.165 53.2 -84.9 -79.2 178.4 17.1 -10.5 -4.6 46 159 A P T 3 S+ 0 0 144 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.689 130.3 53.6 -64.2 -17.3 14.6 -12.7 -6.5 47 160 A S T 3 S- 0 0 103 2,-0.1 -2,-0.0 0, 0.0 0, 0.0 0.370 121.5-105.7 -90.4 0.5 17.0 -12.8 -9.5 48 161 A G S < S+ 0 0 53 -3,-2.2 2,-0.4 1,-0.3 -5,-0.1 0.534 71.3 144.2 86.9 7.5 19.9 -14.0 -7.3 49 162 A N - 0 0 97 1,-0.1 -4,-2.5 -5,-0.0 -1,-0.3 -0.689 56.2-108.3 -80.9 131.1 21.8 -10.7 -7.3 50 163 A V B -X 44 0C 82 -2,-0.4 2,-0.4 -6,-0.2 -6,-0.3 -0.217 28.3-146.8 -57.2 142.6 23.5 -10.0 -4.0 51 164 A I - 0 0 35 -8,-2.6 -1,-0.1 -11,-0.1 -8,-0.0 -0.951 13.6-128.1-111.8 128.7 22.0 -7.2 -1.8 52 165 A Q - 0 0 112 -2,-0.4 2,-0.0 1,-0.1 -8,-0.0 -0.620 26.5-124.0 -73.6 132.7 24.3 -5.0 0.4 53 166 A P + 0 0 21 0, 0.0 33,-0.1 0, 0.0 32,-0.1 -0.368 48.5 133.4 -70.6 162.5 23.2 -4.9 4.0 54 167 A G > - 0 0 14 3,-0.4 3,-2.3 33,-0.1 33,-0.3 -0.927 69.6 -70.4 168.9 173.6 22.6 -1.5 5.6 55 168 A P T 3 S+ 0 0 79 0, 0.0 -1,-0.0 0, 0.0 31,-0.0 0.710 129.7 48.2 -61.7 -21.3 20.1 0.5 7.8 56 169 A N T 3 S+ 0 0 166 64,-0.1 2,-0.4 2,-0.0 33,-0.0 0.172 99.0 81.9-103.1 15.1 17.6 0.5 5.0 57 170 A V < - 0 0 39 -3,-2.3 2,-0.8 -6,-0.0 -3,-0.4 -0.987 69.3-145.7-121.1 129.2 17.8 -3.2 4.2 58 171 A D - 0 0 50 -2,-0.4 3,-0.3 1,-0.1 4,-0.3 -0.840 15.8-176.5 -91.6 107.2 15.9 -5.8 6.3 59 172 A S > + 0 0 1 28,-3.2 4,-2.0 -2,-0.8 3,-0.4 0.514 55.3 98.5 -83.4 -4.4 18.2 -8.9 6.4 60 173 A R H > S+ 0 0 40 27,-0.3 4,-2.6 1,-0.2 5,-0.2 0.901 78.8 48.0 -54.0 -53.7 15.7 -11.0 8.3 61 174 A Q H > S+ 0 0 109 -3,-0.3 4,-2.3 1,-0.2 -1,-0.2 0.858 112.7 51.3 -61.3 -30.9 14.2 -13.1 5.5 62 175 A Y H > S+ 0 0 34 -3,-0.4 4,-2.1 -4,-0.3 -1,-0.2 0.912 110.5 46.3 -73.5 -44.1 17.7 -13.9 4.1 63 176 A L H X S+ 0 0 3 -4,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.908 113.5 50.8 -64.4 -37.8 19.1 -15.1 7.4 64 177 A Q H X S+ 0 0 20 -4,-2.6 4,-2.9 -5,-0.2 -2,-0.2 0.918 108.2 50.9 -65.7 -42.3 16.0 -17.2 7.9 65 178 A A H X S+ 0 0 41 -4,-2.3 4,-2.3 -5,-0.2 -1,-0.2 0.900 110.5 50.8 -60.2 -39.9 16.3 -18.7 4.5 66 179 A A H X S+ 0 0 0 -4,-2.1 4,-2.5 2,-0.2 5,-0.3 0.956 113.0 45.0 -61.9 -51.1 20.0 -19.6 5.3 67 180 A I H X S+ 0 0 2 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.921 113.1 50.3 -58.6 -46.5 19.0 -21.2 8.6 68 181 A D H X S+ 0 0 61 -4,-2.9 4,-1.6 -5,-0.2 -1,-0.2 0.918 113.8 45.8 -60.8 -42.4 16.1 -23.1 7.0 69 182 A Y H X S+ 0 0 128 -4,-2.3 4,-0.8 -5,-0.2 -2,-0.2 0.947 112.7 46.7 -68.3 -48.7 18.3 -24.4 4.2 70 183 A V H ><>S+ 0 0 10 -4,-2.5 5,-2.2 1,-0.2 3,-0.9 0.880 109.6 57.0 -63.3 -35.6 21.3 -25.5 6.3 71 184 A S H ><5S+ 0 0 41 -4,-2.3 3,-1.9 -5,-0.3 -1,-0.2 0.908 100.6 57.3 -57.0 -44.9 18.8 -27.2 8.7 72 185 A S H 3<5S+ 0 0 84 -4,-1.6 -1,-0.2 1,-0.3 -2,-0.2 0.676 103.6 54.1 -63.6 -20.1 17.5 -29.3 5.7 73 186 A N T <<5S- 0 0 108 -3,-0.9 -1,-0.3 -4,-0.8 -2,-0.2 0.231 128.3 -93.7 -95.5 13.1 21.0 -30.6 5.1 74 187 A G T < 5S- 0 0 58 -3,-1.9 -3,-0.2 33,-0.1 -2,-0.1 0.553 77.3 -67.8 86.7 9.0 21.4 -31.9 8.7 75 188 A G < + 0 0 24 -5,-2.2 2,-0.3 -6,-0.2 34,-0.3 -0.368 54.1 166.7 109.7-180.0 23.2 -28.8 10.0 76 189 A G E - 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